N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide

C26H26N2O3S — CID 92500970

IUPACN-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCOc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCCCC2)cc1
InChIInChI=1S/C26H26N2O3S/c1-30-19-13-11-18(12-14-19)24(28-15-5-2-6-16-28)25-23(20-8-3-4-9-21(20)31-25)27-26(29)22-10-7-17-32-22/h3-4,7-14,17,24H,2,5-6,15-16H2,1H3,(H,27,29)/t24-/m0/s1
InChIKeyDXEYQJCLZVCLMG-DEOSSOPVSA-N
MW446.57 g/mol
LogP6.33
Rot. Bonds6

About N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide

N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (PubChem CID 92500970) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
PubChem CID92500970
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC NameN-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
SMILESCOc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCCCC2)cc1
InChIInChI=1S/C26H26N2O3S/c1-30-19-13-11-18(12-14-19)24(28-15-5-2-6-16-28)25-23(20-8-3-4-9-21(20)31-25)27-26(29)22-10-7-17-32-22/h3-4,7-14,17,24H,2,5-6,15-16H2,1H3,(H,27,29)/t24-/m0/s1
InChIKeyDXEYQJCLZVCLMG-DEOSSOPVSA-N
XLogP6.33
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(R)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500969
N-[2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500979
N-[2-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92501004
N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92765182
N-[2-[(S)-(3-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500976
N-[2-[(4-bromophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 46270044
N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270053
N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500977
N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899135
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501103
4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92501125
N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500992

Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide (CID 92500970) is N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is COc1ccc([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
The InChIKey is DXEYQJCLZVCLMG-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-30-19-13-11-18(12-14-19)24(28-15-5-2-6-16-28)25-23(20-8-3-4-9-21(20)31-25)27-26(29)22-10-7-17-32-22/h3-4,7-14,17,24H,2,5-6,15-16H2,1H3,(H,27,29)/t24-/m0/s1.
What are the key properties of N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide?
N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide has a molecular weight of 446.57 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 92500970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).